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In Silico Screening of Potential Spike Glycoprotein Inhibitors of SARS-CoV-2 with Drug Repurposing Strategy

Chinese Journal of Integrative Medicine 2020年第9期26卷 663-669页

作者： WEI Tian-zi WANG Hao WU Xue-qing LU Yi GUAN Sheng-hui DONG Feng-quan DONG Chen-le ZHU Gu-li bao yu-zhou ZHANG Jian WANG Guan-yu LI Hai-ying Department of Biology Southern University of Science and TechnologyShenzhen(518055)GuangdongChina School of Medicine Southern University of Science and TechnologyShenzhen(518055)GuangdongChina School of Biomedical Sciences Li Ka Shing Faculty of Medicinethe University of Hong KongHong Kong SARChina Department of Obstetrics and Gynecology Shenzhen University General HospitalShenzhen(518055)GuangdongChina Clinical Medical Academy Shenzhen UniversityShenzhen(518055)GuangdongChina Department of Cardiology Shenzhen University General HospitalShenzhen(518055)GuangdongChina Department of Obstetrics and Gynecology the First Affiliated Hospital of Wenzhou Medical UniversityWenzhou(325000)ZhejiangChina Guangdong Provincial Key Laboratory of Computational Science and Material Design Shenzhen(518055)GuangdongChina Guangdong Provincial Key Laboratory of Cell Microenvironment and Disease Research Shenzhen(518055)GuangdongChina

Objective:To select potential molecules that can target viral spike proteins,which may potentially interrupt the interaction between the human angiotension-converting enzyme 2(ACE2)receptor and viral spike protein by virtual ***:The three-dimensional(3D)-coordinate file of the receptor-binding domain(RBD)-ACE2 complex for searching a suitable docking pocket was firstly downloaded and ***,approximately 15,000 molecular candidates were prepared,including US Food and Drug Administration(FDA)-approved drngs from DrugBank and natural compounds from Traditional Chinese Medicine Systems Pharmacology(TCMSP),for the docking ***,virtual screening was performed and the binding energy in Autodock Vina was ***,the top 20 molecules with high binding energy and their Chinese medicine(CM)herb sources were listed in this ***:It was found that digitoxin,a cardiac glycoside in DrugBank and bisindigotin in TCMSP had the highest docking ***,two of the CM herbs containing the natural compounds that had relatively high binding scores,Forsyfh/ae frucft/s and/saf/d/s racWx,are components of Lianhua Qingwen(莲花清痕),a CM formula reportedly exerting activity against severe acute respiratory syndrome(SARS)-***,raltegravir,an HIV integrase inhibitor,was found to have a relatively high binding ***:A class of compounds,which are from FDA-approved drugs and CM natural compounds,that had high binding energy with RBD of the viral spike *** work provides potential candidates for other researchers to identify inhibitors to prevent SARS-CoV-2 infection,and highlights the importance of CM and integrative application of CM and Western medicine on treating COVID-19.

关键词： COVID-19 SARS-CoV-2 drug repurposing virtual screening Chinese medicine

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Nanostructured ZnO/BiVO_(4)I-scheme heterojunctions for piezocatalytic degradation of organic dyes via harvesting ultrasonic vibration energy

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 488-497页

作者： Yiling Li Xiaoyao yu Yingjie zhou Yao Lin Ying Wu Key Laboratory of the Ministry of Education for Advanced Catalysis Materials College of Chemistry and Materials ScienceZhejiang Normal UniversityJinhua 321004China

BiVO_(4)porous spheres modified by ZnO were designed and synthesized using a facile two-step *** resulting ZnO/BiVO_(4)composite catalysts have shown remarkable efficiency as piezoelectric catalysts for degrading Rhodamine B(RhB)unde mechanical vibrations,they exhibit superior activity compared to pure *** 40wt%ZnO/BiVO_(4)heterojunction composite displayed the highest activity,along with good stability and *** enhanced piezoelectric catalytic activity can be attributed to the form ation of an I-scheme heterojunction structure,which can effectively inhibit the electron-hole ***,hole(h+)and superoxide radical(·O_(2)^(-))are proved to be the primary active ***,ZnO/BiVO_(4)stands as an efficient and stable piezoelectric catalyst with broad potential application in the field of environmental water pollution treatment.

关键词： piezoelectric catalytic heterojunction dye degradation ultrasonic vibration

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A low redox potential and long life organic anode material for sodium-ion batteries

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Journal of Energy Chemistry 2025年第1期100卷 557-564页

作者： Zhi Li Yang Wei Kang zhou Xin Huang Xing zhou Jie Xu Taoyi Kong Junwei Lucas bao Xiaoli Dong Yonggang Wang Department of Chemistry and Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials Institute of New Energy Collaborative Innovation Center of Chemistry for Energy Materials (iChEM) Fudan University Department of Chemistry Boston College School of Materials Science and Engineering Anhui University of Technology

Sodium-ion batteries （SIBs） with organic electrodes are an emerging research direction due to the sustainability of organic materials based on elements like C,H,O,and sodium ***,organic electrode materials for SIBs are mainly used as cathodes because of their relatively high redox potentials（>1 V）.Organic electrodes with low redox potential that can be used as anode are ***,a novel organic anode material （tetrasodium 1,4,5,8-naphthalenetetracarboxylate,Na4TDC） has been developed with low redox potential （<0.7 V） and excellent cyclic *** three-sodium storage mechanism was demonstrated with various in-situ/ex-situ spectroscopy and theoretical calculations,showing a high capacity of 208 mAh/g and an average decay rate of merely 0.022%per ***,the Na4TDC-hard carbon composite can further acquire improved capacity and cycling stability for 1200 cycles even with a high mass loading of up to 20 mg *** pairing with a thick Na3V2（PO4）3cathode (20.6 mg cm-2),the as-fabricated full cell exhibited high operating voltage （2.8 V）,excellent rate performance and cycling stability with a high capacity retention of 88.7% after 200 cycles,well highlighting the Na4TDC anode material for SIBs.

关键词： Organic anode material Low redox potential Composite anode Sodium-ion batteries

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Co/Co_(7)Fe_(3)heterostructures with controllable alloying degree on carbon spheres as bifunctional electrocatalyst forrechargeable zinc-air batteries

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 476-487页

作者： Junkang Chen Yongyue Zhuang Yanxin Qiao yu Zhang Aihua yuan Hu zhou School of Materials Science and Engineering Jiangsu University of Science and TechnologyZhenjiang 212003China School of Environmental and Chemical Engineering Jiangsu University of Science and TechnologyZhenjiang 212003China

Exploring efficient and nonprecious metal electrocatalysts of oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)is crucial for developing rechargeable zinc-air batteries(ZABs).Herein,an alloying-degree control strategy was employed to fabricate nitrogen-doped carbon sphere(NCS)decorated with dual-phase Co/Co_(7)Fe_(3)heterojunctions(CoFe@NCS).The phase composition of materials has been adjusted by controlling the alloying *** optimal CoFe_(0.08)@NCS electrocatalyst displays a half-wave potential of 0.80 V for ORR and an overpotential of 283 mV at 10 mA·cm^(-2)for OER in an alkaline *** intriguing bifunctional electrocatalytic activity and durability is attributed to the hierarchically porous structure and interfacial electron coupling of highly-active Co_(7)Fe_(3)alloy and metallic Co *** the CoFe_(0.08)@NCS material is used as air-cathode catalyst of rechargeable liquid-state zinc-air battery(ZAB),the device shows a high peak power-density(157 mW·cm^(-2))and maintains a stable voltage gap over 150 h,outperforming those of the benchmark(Pt/C+RuO_(2))-based *** particular,the as-fabricated solid-state flexible ZAB delivers a reliable compatibility under different bending *** work provides a promising strategy to develop metal/alloy-based electrocatalysts for the application in renewable energy conversion technologies.

关键词： bifunctional electrocatalysts oxygen reduction reaction oxygen evolution reaction zinc-air battery metal/alloy carbon sphere

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球后视神经炎的研究进展

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国际眼科杂志 2012年第8期12卷 1518-1521页

作者：周柏玉张艳梅周玉宝解放军第四五一医院神经内科中国陕西省西安市710054 空军工程大学门诊部中国陕西省西安市710051 解放军第四五一医院检验科中国陕西省西安市710054

球后视神经炎(retrobulbar neutitis,RN)是临床常见眼病,可由诸多因素引起,一般可分为急性和慢性两类,以后者多见。急性RN发病快,病程较短,视力急剧下降,甚至无光感,部分患者转为慢性,应在早期给予及时有效的治疗,尽量避免和减少后期视... 详细信息

球后视神经炎(retrobulbar neutitis,RN)是临床常见眼病,可由诸多因素引起,一般可分为急性和慢性两类,以后者多见。急性RN发病快,病程较短,视力急剧下降,甚至无光感,部分患者转为慢性,应在早期给予及时有效的治疗,尽量避免和减少后期视神经不可逆转的损伤。现就近年来国内外关于RN的研究现状综述,以期进一步了解其病因、发病机制和治疗进展,为临床治疗提供帮助。

关键词：球后视神经炎病因发病机制治疗

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Symmetry energy and isospin effects of threshold energy of radial flow in heavy ion collisions

Symmetry energy and isospin effects of threshold energy of r...

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2007年全国核反应会暨生物物理与核物理学科交叉前沿研讨会

作者： bao-An Bian Hong-yu zhou Feng-Shou Zhang (Institute of Low Energy Nuclear Physics,Beijing Normal University,)

The threshold energies of radial flow in reactions of Ca+Ca and Ca +Ca,Sn+124Sn and Ba+Ba in central collisions are investigated within an isospin dependent quantum molecular dynamics model by using three different fo...

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人表皮生长因子基因真核表达载体的构建及其基因转染

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中国临床康复 2006年第29期10卷 86-88,i0003页

作者：鲍玉洲张立华张艳敏河南省眼科研究所分子生物室河南省角膜病重点实验室河南省郑州市450003

目的:构建人表皮生长因子基因真核表达载体,并将其导入细胞中表达表皮生长因子重组蛋白。方法:经HindⅢ、BamHI酶切PGEM-TEasy-hEGF,将人表皮生长因子基因定向克隆到真核表达载体pcDNA3.1中。在脂质体的包裹下将pcDNA3.1-hEGF导入角膜... 详细信息

目的:构建人表皮生长因子基因真核表达载体,并将其导入细胞中表达表皮生长因子重组蛋白。方法:经HindⅢ、BamHI酶切PGEM-TEasy-hEGF,将人表皮生长因子基因定向克隆到真核表达载体pcDNA3.1中。在脂质体的包裹下将pcDNA3.1-hEGF导入角膜组织细胞中,分别从DNA、RNA、蛋白质3个水平上检测人表皮生长因子基因表达情况。结果:经T7/SP6和hEGF内套引物进行PCR扩增及酶切鉴定重组体,分别得到310bp和162bp两条基因片段,将162bp条带经纯化后用AVaⅢ限制性内切酶切鉴定,可分别得到89bp和72bp两条片段;将人表皮生长因子基因序列与Genbank上公布的序列相比,碱基同源性达98.2%,氨基酸完全相同;PCR,RT-PCR在转染后21d之内,在DNA、RNA水平上可检测到人表皮生长因子基因;免疫组织化学检测法在转染后第3天可检测到人表皮生长因子蛋白表达,2周之后,人表皮生长因子蛋白表达结果转为阴性。结论:pcDNA3.1-hEGF重组质粒与LipofectamineTM2000以适当比例混合形成的微囊可携带人表皮生长因子基因进入细胞内并表达功能蛋白。

关键词：表皮生长因子基因转染

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Mechanistic insight into the synergy between nickel single atoms and nanoparticles on N-doped carbon for electroreduction of CO2

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Journal of Energy Chemistry 2025年第1期100卷 327-336页

作者： Mingdong Sun Wenwen Guan Cailing Chen Chao Wu Xiaoling Liu Biao Meng Tao Chen yu Han Jun Wang Shibo Xi yu zhou State Key Laboratory of Materials-Oriented Chemical Engineering College of Chemical Engineering Nanjing Tech University Advanced Membranes and Porous Materials Center Physical Sciences and Engineering Division King Abdullah University of Science and Technology Institute of Sustainability for Chemicals Energy and Environment A*STAR (Agency for Science Technology and Research) College of Materials Science and Engineering Sichuan University

The synergy of single atoms （SAs） and nanoparticles （NPs） has demonstrated great potential in promoting the electrocatalytic carbon dioxide reduction reaction （CO2RR）;however,the rationalization of the SAs/NPs proportion remains one challenge for the catalyst ***,a Ni2+-loaded porous poly（ionic liquids）(PIL) precursor synthesized through the free radical self-polymerization of the ionic liquid monomer,1-allyl-3-vinylimidazolium chloride,was pyrolyzed to prepare the Ni,N co-doped carbon materials,in which the proportion of Ni SAs and NPs could be facilely modulated by controlling the annealing *** catalyst Ni-NC-1000 with a moderate proportion of Ni SAs and NPs exhibited high efficiency in the electrocatalytic conversion of CO2into *** Ni K-edge X-ray absorption near-edge structure （XANES） spectra and theoretical calculations were conducted to gain insight into the synergy of Ni SAs and *** charge transfer from Ni NPs to the surrounding carbon layer and then to the Ni SAs resulted in the electron-enriched Ni SAs active *** the electroreduction of CO2,the coexistence of Ni SAs and NPs strengthened the CO2activation and the affinity towards the key intermediate of*COOH,lowering the free energy for the potential-determining*CO2→*COOH step,and therefore promoted the catalysis efficiency.

关键词： Single atom catalyst Synergy effect Carbon catalyst Electrocatalysis

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A Novel Self-Supervised Learning Network for Binocular Disparity Estimation

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Computer Modeling in Engineering & Sciences 2025年第1期142卷 209-229页

作者： Jiawei Tian yu zhou Xiaobing Chen Salman A.AlQahtani Hongrong Chen Bo Yang Siyu Lu Wenfeng Zheng Department of Computer Science and Engineering Major in Bio Artificial IntelligenceHanyang UniversityAnsan-si15577Republic of Korea School of Electrical and Computer Engineering Louisiana State UniversityBaton RougeLA 70803USA Department of Computer Engineering College of Computer and Information SciencesKing Saud UniversityRiyadh11574Saudi Arabia School of Automation University of Electronic Science and Technology of ChinaChengdu610054China

Two-dimensional endoscopic images are susceptible to interferences such as specular reflections and monotonous texture illumination,hindering accurate three-dimensional lesion reconstruction by surgical *** study proposes a novel end-to-end disparity estimation model to address these *** approach combines a Pseudo-Siamese neural network architecture with pyramid dilated convolutions,integrating multi-scale image information to enhance robustness against lighting *** study introduces a Pseudo-Siamese structure-based disparity regression model that simplifies left-right image comparison,improving accuracy and *** model was evaluated using a dataset of stereo endoscopic videos captured by the Da Vinci surgical robot,comprising simulated silicone heart sequences and real heart video *** results demonstrate significant improvement in the network’s resistance to lighting interference without substantially increasing ***,the model exhibited faster convergence during training,contributing to overall performance *** study advances endoscopic image processing accuracy and has potential implications for surgical robot applications in complex environments.

关键词： Parallax estimation parallax regression model self-supervised learning Pseudo-Siamese neural network pyramid dilated convolution binocular disparity estimation

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Enhanced electrochemical CO_(2)reduction coupled with urea oxidation using bifunctional atomically dispersed CuNi catalysts

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Nano Research 2025年第1期18卷 208-216页

作者： Wenjie Wu Haoyang zhou Ying Liu Yifei Pan Qingqing Chen yu Zhang Junjie Mao Wenjie Ma Ping yu Beijing National Laboratory for Molecular Sciences Key Laboratory of Analytical Chemistry for Living BiosystemsInstitute of ChemistryChinese Academy of Sciences(CAS)Beijing 100190China College of Chemistry and Materials Science Anhui Normal UniversityWuhu 241002China University of Chinese Academy of Sciences Beijing 100049China

The electrochemical conversion of carbon dioxide(CO_(2))into chemical fuels represents a promising approach for addressing global carbon balance ***,this process is hindered by the kinetic limitations of anodic reactions,usually the oxygen evolution reaction,resulting in less efficient production of high value-added ***,we report an integrated electrocatalytic system that couples CO_(2)reduction reaction(CO_(2)RR)with urea oxidation reaction(UOR)using a bifunctional electrocatalyst with atomically dispersed dual-metal CuNi sites anchored on bamboo-like nitrogen-doped carbon nanotubes(CuNi-CNT),which were synthesized through a one-step pyrolysis *** bifunctional CuNi-CNT catalyst exhibits a near 100%CO Faraday efficiency for CO_(2)RR over a wide potential range and outstanding UOR performance with a negatively shifted potential of 210 mV at 10 mA·cm^(-2).In addition,we assemble a two-electrode electrolyzer using bifunctional CuNi-CNT-modified carbon fiber paper electrodes as both cathode and anode,capable of operating at a remarkably low cell voltage of 1.81 V at 10 mA·cm-2,significantly lower than conventional *** study provides a novel avenue to achieving an efficient carbon cycle with reduced electric power consumption.

关键词： electrochemical conversion bimetallic site catalyst bifunctional electrocatalyst carbon dioxide reduction urea oxidation

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